#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s GLY 2 N 0.00 2.94 0.00 3.41 0.00 -1.26 -4.89 107.32 107.52 3cxc s GLY 2 Ca 0.00 1.05 0.29 0.00 0.00 0.00 0.00 44.72 46.06 3cxc s GLY 2 CO 0.00 1.62 1.94 0.00 0.00 0.00 0.00 173.10 176.66 3cxc n ALA 3 N 0.47 2.67 -1.53 3.20 0.00 -1.26 -3.07 120.51 121.00 3cxc n ALA 3 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3cxc n ALA 3 Cb 0.45 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3cxc n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 4 N 1.27 0.65 0.14 0.00 0.00 -1.26 -4.56 105.19 101.43 3cxc n GLY 4 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3cxc n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cxc h THR 5 N 0.00 0.00 -1.30 2.61 2.02 -2.01 0.10 112.91 114.33 3cxc h THR 5 Ca 0.00 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.56 3cxc h THR 5 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 3cxc h THR 5 CO 0.00 0.00 0.99 1.55 0.37 0.00 0.00 175.52 178.43 3cxc h PRO 6 N -0.02 0.00 -0.01 6.66 0.13 -1.92 1.27 132.00 138.11 3cxc h PRO 6 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3cxc h PRO 6 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 3cxc h PRO 6 CO -0.28 0.00 -0.17 0.43 -0.23 0.00 0.00 178.00 177.75 3cxc n SER 7 N -4.00 0.78 0.20 1.44 7.64 0.31 -3.70 113.62 116.29 3cxc n SER 7 Ca 0.28 -0.77 0.09 0.00 1.01 0.00 0.00 58.87 59.49 3cxc n SER 7 Cb 1.41 0.03 0.17 0.00 -1.01 0.00 0.00 64.21 64.81 3cxc n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3cxc h GLN 8 N 0.95 0.00 0.00 1.43 1.08 0.21 -3.34 115.11 115.44 3cxc h GLN 8 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3cxc h GLN 8 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3cxc h GLN 8 CO 0.00 0.16 -0.12 0.78 -0.95 0.00 0.00 178.83 178.70 3cxc h GLY 9 N 3.65 0.00 -0.03 3.46 0.00 -1.64 -2.93 103.07 105.58 3cxc h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cxc h GLY 9 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 3cxc n LYS 10 N -3.61 1.43 -1.48 4.80 5.02 -1.25 -4.66 118.16 118.40 3cxc n LYS 10 Ca -0.02 -0.63 -0.40 0.00 -2.02 0.00 0.00 58.31 55.25 3cxc n LYS 10 Cb 0.25 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3cxc n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cxc n LYS 11 N -0.21 3.47 -1.89 1.97 5.02 -1.11 -4.58 118.16 120.83 3cxc n LYS 11 Ca 0.19 -2.38 -0.28 0.00 -2.02 0.00 0.00 58.31 53.82 3cxc n LYS 11 Cb 0.25 -2.95 0.03 0.00 -0.02 0.00 0.00 35.03 32.35 3cxc n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3cxc n ASN 12 N 4.31 5.74 -4.76 4.39 6.94 -1.26 -5.01 115.26 125.61 3cxc n ASN 12 Ca 0.69 -3.76 -0.29 0.00 -0.02 0.00 0.00 54.58 51.20 3cxc n ASN 12 Cb 0.28 -0.55 -0.07 0.00 -2.36 0.00 0.00 39.78 37.09 3cxc n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3cxc s THR 13 N -4.79 4.38 -0.11 5.53 2.01 -1.26 -5.11 115.64 116.29 3cxc s THR 13 Ca 0.54 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 3cxc s THR 13 Cb 0.44 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 3cxc s THR 13 CO -0.02 0.05 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.07 3cxc s THR 14 N -1.49 4.27 0.00 -0.82 2.01 -1.26 -4.99 115.64 113.36 3cxc s THR 14 Ca 0.29 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3cxc s THR 14 Cb -0.11 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3cxc s THR 14 CO 0.21 0.57 0.00 0.35 -0.69 0.00 0.00 174.62 175.07 3cxc n THR 15 N 2.54 0.00 -2.63 -0.82 -2.24 -1.26 -4.79 114.28 105.08 3cxc n THR 15 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3cxc n THR 15 Cb 0.53 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3cxc n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cxc s HIS 16 N -0.54 3.38 0.20 4.78 3.76 -1.25 0.84 115.29 126.47 3cxc s HIS 16 Ca 0.00 1.48 0.05 0.00 -0.15 0.00 0.00 55.06 56.43 3cxc s HIS 16 Cb 0.00 -3.26 -0.05 0.00 1.11 0.00 0.00 32.58 30.38 3cxc s HIS 16 CO 0.00 -0.53 -0.07 0.95 -0.85 0.00 0.00 174.74 174.25 3cxc s THR 17 N 2.45 1.26 -0.27 1.30 -4.23 0.37 -4.76 115.64 111.75 3cxc s THR 17 Ca 0.49 -2.08 -0.41 0.00 -1.18 0.00 0.00 61.69 58.51 3cxc s THR 17 Cb -0.18 -2.14 -0.16 0.00 1.34 0.00 0.00 72.50 71.35 3cxc s THR 17 CO 0.15 -0.51 1.68 1.17 -0.54 0.00 0.00 174.62 176.57 3cxc n LYS 18 N -0.35 0.97 -2.77 3.99 3.00 -1.26 0.54 118.16 122.28 3cxc n LYS 18 Ca -0.07 0.36 -0.42 0.00 -0.00 0.00 0.00 58.31 58.17 3cxc n LYS 18 Cb 0.62 -2.01 -0.03 0.00 0.00 0.00 0.00 35.03 33.61 3cxc n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3cxc h ARG 20 N 7.45 0.00 0.01 0.00 2.43 -1.89 0.16 114.38 122.54 3cxc h ARG 20 Ca -0.23 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.65 3cxc h ARG 20 Cb 1.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3cxc h ARG 20 CO 0.91 0.00 -1.55 -2.13 -1.51 0.00 0.00 179.97 175.69 3cxc n ARG 21 N -3.83 0.59 -0.01 0.20 0.63 -1.26 -4.63 116.66 108.36 3cxc n ARG 21 Ca 0.01 0.49 0.10 0.00 -0.92 0.00 0.00 57.85 57.53 3cxc n ARG 21 Cb 0.30 -1.70 -0.14 0.00 0.45 0.00 0.00 32.46 31.36 3cxc n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cxc n GLY 23 N 1.38 1.58 3.88 0.00 0.00 0.54 -5.00 105.19 107.57 3cxc n GLY 23 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3cxc n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxc s GLU 24 N -0.43 3.35 -1.20 1.61 0.41 -1.26 -4.48 118.70 116.71 3cxc s GLU 24 Ca 0.00 0.57 -0.05 0.00 -0.41 0.00 0.00 54.97 55.08 3cxc s GLU 24 Cb 0.00 -2.10 0.22 0.00 -1.78 0.00 0.00 34.13 30.46 3cxc s GLU 24 CO 0.00 -0.67 1.93 1.17 -0.49 0.00 0.00 175.26 177.20 3cxc n LYS 25 N -2.77 4.50 0.00 1.61 4.81 -1.26 0.18 118.16 125.23 3cxc n LYS 25 Ca 0.06 -3.98 0.00 0.00 -0.87 0.00 0.00 58.31 53.52 3cxc n LYS 25 Cb 0.55 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3cxc n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3cxc n SER 26 N 1.82 1.22 -4.59 3.14 7.64 -0.94 -4.24 113.62 117.67 3cxc n SER 26 Ca 0.45 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 58.35 3cxc n SER 26 Cb 0.30 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 3cxc n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3cxc s TYR 27 N -0.55 2.69 -0.71 1.43 5.04 0.19 -1.65 117.35 123.79 3cxc s TYR 27 Ca 0.00 0.55 -0.26 0.00 -2.44 0.00 0.00 57.07 54.92 3cxc s TYR 27 Cb 0.00 -4.49 -0.01 0.00 0.35 0.00 0.00 41.96 37.82 3cxc s TYR 27 CO 0.00 -1.46 1.68 -1.58 -1.34 0.00 0.00 175.55 172.86 3cxc s HIS 28 N 4.75 1.91 0.35 4.97 5.65 -0.49 0.14 115.29 132.56 3cxc s HIS 28 Ca 0.45 0.43 0.27 0.00 0.25 0.00 0.00 55.06 56.46 3cxc s HIS 28 Cb -0.07 -4.28 1.49 0.00 -1.18 0.00 0.00 32.58 28.54 3cxc s HIS 28 CO 0.28 -2.15 1.81 0.00 -0.65 0.00 0.00 174.74 174.03 3cxc h THR 29 N 6.68 0.00 0.03 0.89 1.03 0.12 2.53 112.91 124.19 3cxc h THR 29 Ca -0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 65.88 3cxc h THR 29 Cb 1.10 0.61 -0.05 0.00 -1.07 0.00 0.00 68.15 68.74 3cxc h THR 29 CO 1.25 0.00 -1.92 0.29 -0.01 0.00 0.00 175.52 175.13 3cxc n LYS 30 N -2.60 0.67 0.06 0.00 4.76 -1.26 -4.25 118.16 115.53 3cxc n LYS 30 Ca -0.02 0.24 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 3cxc n LYS 30 Cb 0.24 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 31.65 3cxc n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3cxc n LYS 31 N -3.12 0.62 -3.53 1.97 5.02 0.43 -4.98 118.16 114.57 3cxc n LYS 31 Ca -0.24 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 55.90 3cxc n LYS 31 Cb 1.06 -1.74 0.08 0.00 -0.02 0.00 0.00 35.03 34.41 3cxc n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cxc n LYS 32 N -2.62 -7.14 -3.71 1.97 4.76 0.82 -4.99 118.16 107.25 3cxc n LYS 32 Ca -0.04 0.83 -0.11 0.00 -2.87 0.00 0.00 58.31 56.12 3cxc n LYS 32 Cb 0.62 -5.85 -0.11 0.00 -1.84 0.00 0.00 35.03 27.86 3cxc n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3cxc s VAL 33 N -3.35 -0.02 -0.20 -0.18 1.01 -1.23 -4.50 120.40 111.94 3cxc s VAL 33 Ca 0.27 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 3cxc s VAL 33 Cb -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3cxc s VAL 33 CO 0.74 0.03 0.77 0.00 0.00 0.00 0.00 175.10 176.64 3cxc n SER 35 N 5.37 0.28 -0.10 0.00 3.41 -0.66 -1.00 113.62 120.93 3cxc n SER 35 Ca 0.03 0.55 -0.14 0.00 -0.26 0.00 0.00 58.87 59.06 3cxc n SER 35 Cb 0.49 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 3cxc n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3cxc n SER 36 N -1.79 1.89 -0.31 4.04 2.88 -1.26 -4.70 113.62 114.37 3cxc n SER 36 Ca 0.04 0.44 0.08 0.00 -1.33 0.00 0.00 58.87 58.10 3cxc n SER 36 Cb 0.25 -0.83 -0.02 0.00 -0.75 0.00 0.00 64.21 62.86 3cxc n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxc n GLY 38 N 1.25 0.48 3.68 0.00 0.00 -0.17 -0.52 105.19 109.90 3cxc n GLY 38 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 3cxc n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cxc n PHE 39 N -2.56 2.33 0.00 1.61 7.35 -1.26 -0.09 117.46 124.84 3cxc n PHE 39 Ca 0.00 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3cxc n PHE 39 Cb 0.09 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.33 3cxc n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3cxc n GLY 40 N 3.75 0.41 1.27 7.13 0.00 -1.26 -0.87 105.19 115.62 3cxc n GLY 40 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3cxc n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cxc n LYS 41 N -1.74 0.00 -4.73 1.61 4.81 0.87 -4.78 118.16 114.20 3cxc n LYS 41 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 3cxc n LYS 41 Cb 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 35.03 34.57 3cxc n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3cxc s SER 42 N -4.83 2.42 0.11 3.14 0.15 -0.37 -5.01 113.70 109.30 3cxc s SER 42 Ca 0.00 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 56.05 3cxc s SER 42 Cb 0.00 -0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 63.94 3cxc s SER 42 CO 0.00 0.18 1.32 0.00 1.20 0.00 0.00 173.24 175.94 3cxc h ALA 43 N 5.10 0.33 -2.40 5.45 0.00 -1.96 -3.41 119.26 122.37 3cxc h ALA 43 Ca -0.41 -0.59 -0.47 0.00 0.00 0.00 0.00 54.91 53.44 3cxc h ALA 43 Cb 1.15 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3cxc h ALA 43 CO 0.45 0.68 0.39 0.15 0.00 0.00 0.00 179.25 180.92 3cxc s LYS 44 N -3.81 4.19 0.24 0.00 1.02 -1.26 -5.00 119.74 115.12 3cxc s LYS 44 Ca -0.10 1.40 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 3cxc s LYS 44 Cb 0.09 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 3cxc s LYS 44 CO 0.91 -0.10 1.36 1.03 -0.92 0.00 0.00 175.35 177.63 3cxc s ARG 45 N -2.65 4.33 0.19 1.68 1.81 -1.26 -4.88 118.95 118.18 3cxc s ARG 45 Ca 0.59 2.19 -0.32 0.00 -1.72 0.00 0.00 55.73 56.46 3cxc s ARG 45 Cb -0.18 -3.14 -0.11 0.00 -0.45 0.00 0.00 34.95 31.06 3cxc s ARG 45 CO 0.23 -0.31 1.68 0.50 -0.68 0.00 0.00 175.30 176.73 3cxc s ARG 46 N -0.50 4.15 -0.26 3.54 3.52 0.32 -4.98 118.95 124.74 3cxc s ARG 46 Ca 0.56 2.54 -0.26 0.00 -0.13 0.00 0.00 55.73 58.45 3cxc s ARG 46 Cb -0.39 -3.11 0.09 0.00 -1.56 0.00 0.00 34.95 29.98 3cxc s ARG 46 CO 0.43 -0.72 0.86 0.34 -0.81 0.00 0.00 175.30 175.40 3cxc s ASP 47 N 1.22 -0.60 0.06 -2.12 -1.08 -1.26 -4.80 116.67 108.09 3cxc s ASP 47 Ca 0.74 1.12 0.02 0.00 -0.52 0.00 0.00 52.55 53.90 3cxc s ASP 47 Cb -0.48 1.12 -0.03 0.00 -1.46 0.00 0.00 42.92 42.07 3cxc s ASP 47 CO 0.32 -0.23 -0.07 -0.31 0.52 0.00 0.00 175.17 175.40 3cxc s TYR 48 N 0.17 0.71 -0.30 -5.34 1.51 -1.26 -5.04 117.35 107.80 3cxc s TYR 48 Ca 0.01 -0.65 0.28 0.00 -1.01 0.00 0.00 57.07 55.70 3cxc s TYR 48 Cb -0.05 -0.42 0.94 0.00 -0.11 0.00 0.00 41.96 42.32 3cxc s TYR 48 CO -0.02 -0.12 1.80 0.93 -1.11 0.00 0.00 175.55 177.03 3cxc h GLU 49 N 4.00 0.00 -0.10 -0.62 4.39 -2.01 -2.98 114.58 117.26 3cxc h GLU 49 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3cxc h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3cxc h GLU 49 CO 0.49 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.67 3cxc n TRP 50 N -2.77 0.13 1.54 4.33 4.27 -1.26 -3.07 117.44 120.62 3cxc n TRP 50 Ca 0.03 -0.07 0.06 0.00 -3.89 0.00 0.00 57.50 53.63 3cxc n TRP 50 Cb 0.36 0.00 0.25 0.00 -1.36 0.00 0.00 31.31 30.57 3cxc n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3cxc n GLN 51 N -0.23 1.37 -3.55 -2.67 6.02 -1.13 -4.82 117.38 112.37 3cxc n GLN 51 Ca 0.09 -0.56 -0.11 0.00 -0.01 0.00 0.00 57.00 56.40 3cxc n GLN 51 Cb 0.13 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 3cxc n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3cxc s SER 52 N -1.26 -0.38 0.39 1.08 1.04 -1.17 -5.12 113.70 108.28 3cxc s SER 52 Ca 0.20 -0.19 -0.26 0.00 0.48 0.00 0.00 55.95 56.18 3cxc s SER 52 Cb 0.10 0.53 -0.11 0.00 0.10 0.00 0.00 66.02 66.64 3cxc s SER 52 CO 0.15 -0.91 1.26 0.29 0.98 0.00 0.00 173.24 175.01 3cxc n LYS 53 N -0.30 1.97 -0.31 4.02 4.76 -1.26 -4.85 118.16 122.19 3cxc n LYS 53 Ca -0.16 0.70 0.19 0.00 -2.87 0.00 0.00 58.31 56.17 3cxc n LYS 53 Cb 0.64 -2.35 0.47 0.00 -1.84 0.00 0.00 35.03 31.95 3cxc n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cxc h ALA 54 N 2.21 2.10 -1.00 7.82 0.00 -1.97 -0.90 119.26 127.52 3cxc h ALA 54 Ca -0.47 0.05 -0.73 0.00 0.00 0.00 0.00 54.91 53.76 3cxc h ALA 54 Cb 1.29 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.79 3cxc h ALA 54 CO 0.61 -0.46 0.97 0.41 0.00 0.00 0.00 179.25 180.78 3cxc n GLY 55 N -1.45 5.68 0.00 0.00 0.00 -1.26 -5.16 105.19 103.00 3cxc n GLY 55 Ca 0.23 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3cxc n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11